Reaction mass of 5,9-Undecadienal-2,6,10-trimethyl-, (5E)- and 5,9-Undecadienal-2,6,10-trimethyl-, (5Z)-

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

04-Nov-2015 to 18-Nov-2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

yes (incl. QA statement)

Remarks:

Staatliches Gewerbeaufsichtsamt Hildeshelm

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

>= 5.64 - <= 5.77

Temp.:

23.4 °C

Remarks on result:

other: HPLC method; range of two isomers. pH was not measured.

Results of Test Item Analysis

Retention time data and calculated log k values for the two isomer signals of the test item. 

The tables for Isomer 1 and 2 contain the retention time data and calculated log k values for the two isomers of the test item. Two individual log Pow values were derived under consideration of the first and second calibration. A mean value was calculated from these individual log Pow values for each isomer. Finally, a weighted mean value was calculated based on the respective peak area percentages.

Retention Times, Capacity Factors and Partition Coefficients of the test item, Isomer 1

Test item: Isomer 1	tR (min)	k	Log k	Log Pow
	10.276	19.6	1.29	1^stcalibration	2^ndcalibration
	10.279	19.6	1.29	5.64 +/- 0.11 5.36 to 5.93 (95% CI)	5.64 +/- 0.11 5.36 to 5.93 (95% CI)
Mean	10.278	19.6	1.29	5.64

 

Retention Times, Capacity Factors and Partition Coefficients of the test item, Isomer 2

Test item: Isomer 2	tR(min)	k	Log k	Log Pow
	10.869	20.8	1.32	1^stcalibration	2^ndcalibration
	10.872	20.8	1.32	5.77 +/- 0.12 5.47 to 6.07 (95% CI)	5.77 +/- 0.12 5.47 to 6.07 (95% CI)
Mean	10.871	20.8	1.32	5.77

 

t_R: Retention time

k: Capacity factor test item

P_ow : Partition Coefficient (n-octanol / water)

CI : Confidence Interval

 

Conclusions

Two individual log Pow values for the test item were derived under consideration of the first and second calibration for each of the two chromatographically resolved signals. Mean values were calculated from these individual log Pow values.

Finally, a weighted average mean value was calculated based on the respective peak area percentages to be 5.71.

Summarized results of the partition coefficients of the test item

	Log Pow
	1^stcalibration	2^ndcalibration	Mean
Isomer 1	5.64 +/ 0.11 5.36 to 5.93 (95% CI)	5.64 +/- 0.11 5.36 to 5.93 (95% CI)	5.64
Isomer 2	5.77 +/- 0.12 5.47 to 6.07 (95% CI)	5.77 +/- 0.12 5.47 to 6.07 (95% CI)	5.77

Weighted mean = 5.71

 

Conclusions:

A log Pow range of 5.64 to 5.77 (at 23.4 °C) was determined for the two isomers of the test item according to E.U. Method A.8. A weighted average mean value was calculated based on the respective peak area percentages to be 5.71.

Description of key information

Log Pow: 5.64 to 5.77 (at 23.4 °C) for the two isomers of the substance (EU Method A.8, HPLC method).

Key value for chemical safety assessment

Log Kow (Log Pow):

5.77

at the temperature of:

23.4 °C

Additional information

A weighted average mean value was calculated based on the respective peak area percentages to be 5.71.